COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.911   1.808   1.129  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.416   1.496   0.065  1.00  0.00           C  
HETATM    3  OXT UNL     1      -2.037   1.817  -1.086  1.00  0.00           O  
HETATM    4  CA  UNL     1      -0.126   0.766   0.033  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.107  -0.592   0.007  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.368  -1.368   0.011  1.00  0.00           N1+
HETATM    7  O   UNL     1      -2.438  -0.791  -0.059  1.00  0.00           O  
HETATM    8  O   UNL     1      -1.335  -2.583   0.083  1.00  0.00           O1-
HETATM    9  N   UNL     1       1.065   1.460   0.023  1.00  0.00           N  
HETATM   10  C   UNL     1       2.244   0.817  -0.007  1.00  0.00           C  
HETATM   11  O   UNL     1       3.272   1.466  -0.014  1.00  0.00           O  
HETATM   12  N   UNL     1       2.318  -0.525  -0.028  1.00  0.00           N  
HETATM   13  C   UNL     1       1.194  -1.272  -0.025  1.00  0.00           C  
HETATM   14  O   UNL     1       1.257  -2.487  -0.049  1.00  0.00           O  
HETATM   15  H   UNL     1       1.051   2.430   0.037  1.00  0.00           H  
HETATM   16  H   UNL     1       3.185  -0.960  -0.050  1.00  0.00           H  
HETATM   17  HXT UNL     1      -2.874   2.296  -1.014  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   17                                                 
CONECT    4    2    5    5    9                                       
CONECT    5    4    4    6   13                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6                                                      
CONECT    9    4   10   15                                            
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   16                                            
CONECT   13    5   12   14   14                                       
CONECT   14   13   13                                                 
CONECT   15    9                                                      
CONECT   16   12                                                      
CONECT   17    3                                                      
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END
